4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptyl-benzamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptyl-benzamide Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N-cycloheptyl-benzamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N-cycloheptylbenzamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptylbenzamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N-cycloheptyl-benzamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H31N3O3S2/c30-25(27-21-7-3-1-2-4-8-21)19-11-13-22(14-12-19)34(31,32)29-17-15-20(16-18-29)26-28-23-9-5-6-10-24(23)33-26/h5-6,9-14,20-21H,1-4,7-8,15-18H2,(H,27,30)